7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one

C18H17NO3 — CID 19039862

IUPAC7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
SMILESCOc1ccc2c(c1)CCC1C(c3ccccc3)OC(=O)N21
InChIInChI=1S/C18H17NO3/c1-21-14-8-10-15-13(11-14)7-9-16-17(22-18(20)19(15)16)12-5-3-2-4-6-12/h2-6,8,10-11,16-17H,7,9H2,1H3
InChIKeyZSBDBFKMXFIGOP-UHFFFAOYSA-N
MW295.34 g/mol
LogP3.71
Rot. Bonds2

About 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one

7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one (PubChem CID 19039862) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one.

Molecular Properties

Compound Name7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
PubChem CID19039862
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one
SMILESCOc1ccc2c(c1)CCC1C(c3ccccc3)OC(=O)N21
InChIInChI=1S/C18H17NO3/c1-21-14-8-10-15-13(11-14)7-9-16-17(22-18(20)19(15)16)12-5-3-2-4-6-12/h2-6,8,10-11,16-17H,7,9H2,1H3
InChIKeyZSBDBFKMXFIGOP-UHFFFAOYSA-N
XLogP3.71
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The IUPAC name of 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one (CID 19039862) is 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one.
What is the SMILES notation for 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The canonical SMILES for 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one is COc1ccc2c(c1)CCC1C(c3ccccc3)OC(=O)N21.
What is the InChIKey of 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
The InChIKey is ZSBDBFKMXFIGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO3/c1-21-14-8-10-15-13(11-14)7-9-16-17(22-18(20)19(15)16)12-5-3-2-4-6-12/h2-6,8,10-11,16-17H,7,9H2,1H3.
What are the key properties of 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one?
7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one has a molecular weight of 295.34 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-phenyl-3,3a,4,5-tetrahydro-[1,3]oxazolo[3,4-a]quinolin-1-one is sourced from PubChem (CID 19039862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).